4-甲基-2-苯基-1,3-噻唑-5-磺酰氯 | 690632-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-甲基-2-苯基-1,3-噻唑-5-磺酰氯
• 英文名称: 4-methyl-2-phenylthiazole-5-sulfonyl chloride
• 英文别名: 4-methyl-2-phenyl-1,3-thiazole-5-sulfonyl Chloride
• CAS: 690632-88-3
• 化学式: C₁₀H₈ClNO₂S₂
• mdl: MFCD05664408
• 分子量: 273.764
• InChiKey: NGDQQLAVJWUYSF-UHFFFAOYSA-N

物化性质

• 熔点：
  76 °C
• 沸点：
  426.7±47.0 °C(Predicted)
• 密度：
  1.438±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  83.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934100090

SDS

Name:	4-Methyl-2-phenyl-1 3-thiazole-5-sulfonyl chloride Material Safety Data Sheet
Synonym:	None Known
CAS:	690632-88-3

Section 1 - Chemical Product MSDS Name:4-Methyl-2-phenyl-1 3-thiazole-5-sulfonyl chloride Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
690632-88-3	4-Methyl-2-phenyl-1,3-thiazole-5-sulfo	80+%	unlisted

Hazard Symbols: C
Risk Phrases: 14 22 29 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Reacts violently with water. Harmful if swallowed. Contact with water liberates toxic gas. Causes burns.Water-reactive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately. If swallowed, do NOT induce vomiting. Get medical aid immediately. If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Water Reactive. Material will react with water and may release a flammable and/or toxic gas.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER! Contact professional fire-fighters immediately.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Wear a self contained breathing apparatus and appropriate personal protection. (See Exposure Controls, Personal Protection section). Avoid generating dusty conditions. Provide ventilation. Do not expose spill to water.

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Section 7 - HANDLING and STORAGE
Handling:
Do not allow water to get into the container because of violent reaction. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use and store under nitrogen. Use only in a chemical fume hood. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Water free area. Store protected from moisture.
Store under nitrogen.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use explosion-proof ventilation equipment. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 690632-88-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Orange
Odor: Without to slight
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 40 - 41 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H8ClNO2S2
Molecular Weight: 273.76

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Combines vigorously or explosively with water. Reacts with water to form hydrogen chloride, a toxic and corrosive gas.
Conditions to Avoid:
Incompatible materials, dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, water.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 690632-88-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methyl-2-phenyl-1,3-thiazole-5-sulfonyl chloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water.
R 22 Harmful if swallowed.
R 29 Contact with water liberates toxic gas.
R 34 Causes burns.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 30 Never add water to this product.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 690632-88-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 690632-88-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 690632-88-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-甲基-2-苯基-1,3-噻唑-5-磺酰氯 、 (R)-ethyl 1-(4-nitronaphthalen-1-yl)pyrrolidine-3-carboxylate 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以46%的产率得到ethyl (3R)-1-[4-[(1,2-dimethylindol-3-yl)sulfonylamino]-1-naphthyl]pyrrolidine-3-carboxylate
  参考文献：
  名称：

  Naphthyl Sulfonamide Pyrrolidine Derivatives as KEAP-1 Modulators for the Treatment of Diabetes, Obesity, Dyslipidemia and Related Disorders

  摘要：

  本发明涉及公式I的萘磺酰胺吡咯烷衍生物，其中R1、R2、R3、R4、R5、R6、R7、R10、A、D、q、i、n、m、L和R50的定义如下所示。 萘磺酰胺吡咯烷衍生物I是KEAP-1调节剂，可用于预防和/或治疗糖尿病、肥胖、血脂异常及相关疾病。 本发明还涉及将公式I的萘磺酰胺吡咯烷衍生物用作药物中的活性成分，以及包含它们的药物组合物。

  公开号：

  EP2997966A1

文献信息

• PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF
  申请人：MORITA Kohei

  公开号：US20100093819A1

  公开（公告）日：2010-04-15

  A compound represented by the following general formula (1) or a salt thereof, which has superior inhibitory activity against type 4 PLA 2 , and thus has prostaglandin and/or leucotriene production suppressing action [X represents a halogen atom, an alkyl group which may be substituted, or the like, Y represents hydrogen atom or an alkyl group which may be substituted, and Z represents hydrogen atom or an alkyl group which may be substituted].

  由以下一般式（1）表示的化合物或其盐，具有优越的抑制对4型PLA2的活性，因此具有前列腺素和/或白三烯产生抑制作用【X代表卤素原子、可能被取代的烷基或类似物，Y代表氢原子或可能被取代的烷基，Z代表氢原子或可能被取代的烷基】。
• US8334314B2
  申请人：——

  公开号：US8334314B2

  公开（公告）日：2012-12-18
• US8772327B2
  申请人：——

  公开号：US8772327B2

  公开（公告）日：2014-07-08
• Naphthyl Sulfonamide Pyrrolidine Derivatives as KEAP-1 Modulators for the Treatment of Diabetes, Obesity, Dyslipidemia and Related Disorders
  申请人：SANOFI

  公开号：EP2997966A1

  公开（公告）日：2016-03-23

  The present invention relates to naphthyl sulfonamide pyrrolidine derivatives of the formula I in which R1, R2, R3, R4, R5, R6, R7, R10, A, D, q, i, n, m, L and R50 are defined as indicated below. The naphthyl sulfonamide pyrrolidine derivatives I are KEAP-1 modulators and useful for the prevention and/or treatment of diabetes, obesity, dyslipidemia and related disorders. The invention furthermore relates to the use of naphthyl sulfonamide pyrrolidine derivatives of the formula I as active ingredients in pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及公式I的萘磺酰胺吡咯烷衍生物，其中R1、R2、R3、R4、R5、R6、R7、R10、A、D、q、i、n、m、L和R50的定义如下所示。 萘磺酰胺吡咯烷衍生物I是KEAP-1调节剂，可用于预防和/或治疗糖尿病、肥胖、血脂异常及相关疾病。 本发明还涉及将公式I的萘磺酰胺吡咯烷衍生物用作药物中的活性成分，以及包含它们的药物组合物。